B4I1MG -OEChem-04022100162D 41 44 0 0 0 0 0 0 0999 V2000 4.5981 1.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -1.7847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.7742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 0.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 -0.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 -2.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7239 -2.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 0.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1299 -1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7364 0.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1362 0.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 4 12 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 10 2 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 27 2 0 0 0 0 25 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 M END $$$$